Geometry & MOs

Info

ID:	319395
PubChem CID:	126655859
Reduced:	SO3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	403.193614
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	3.32
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylphenyl)-2-phenyl-6-(2,4,6-trimethylphenyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=CC(=C2)OS(=O)(=O)C)C(C)(C)C

DOS

IR

Vibrations